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- W2077889435 endingPage "35" @default.
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- W2077889435 abstract "Proteins have inherent flexibility, and this plays a critical role in a vast array of biological functions, including ligand binding. Structure-based drug design (SBDD) strategies incorporate biomolecular structures with computational methods to predict and optimize ligand–receptor complexes. However, these strategies largely involve using static protein snapshots derived by classical X-ray crystallography, and thus critical and valuable information on flexibility is completely absent. With a historical perspective, we highlight relevant fundamental aspects of the character and importance of the tapestry of flexibility in molecular recognition events, especially when a ligand binds to a protein. Knowledge of methods that can provide details of the full spectrum of flexibility in proteins is a requisite to laying the foundations for linking these concepts with the current algorithms employed in SBDD. Finally, we underline a number of examples that should urge the incorporation of protein flexibility in the industrial drug design pipeline. Drug Dev Res 72: 26–35, 2011. © 2010 Wiley-Liss, Inc." @default.
- W2077889435 created "2016-06-24" @default.
- W2077889435 creator A5026320911 @default.
- W2077889435 creator A5045760818 @default.
- W2077889435 creator A5049358805 @default.
- W2077889435 creator A5073432520 @default.
- W2077889435 date "2010-12-16" @default.
- W2077889435 modified "2023-09-25" @default.
- W2077889435 title "Role of protein flexibility in the discovery of new drugs" @default.
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